769153-83-5
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
Name2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
1Identification
【Name】
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05153376
【English Synonyms】
【Formula】
C30 H25 Br N2 O5
【MolWeight】
573.44
【Inchi】
InChI=1S/C30H25BrN2O5/c1-20-6-8-21(9-7-20)19-37-26-13-11-23(12-14-26)29(34)33-32-18-22-10-15-27(28(16-22)36-2)38-30(35)24-4-3-5-25(31)17-24/h3-18H,19H2,1-2H3,(H,33,34)/b32-18+
【InChIKey】
InChIKey=SCUZTKIFCXQADS-KCSSXMTESA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)C(=O)N/N=C/c3ccc(c(c3)OC)OC(=O)c4cccc(c4)Br
【MOL File】
2-MEO-4-(2-(4-((4-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-(4-((4-METHYLBENZYL)OXY)BENZOYL)CARBOHYDRAZONOYL)PH 3-BROMOBENZOATE.cml